ccsb-scripps / ADCPLinks
AutoDock CrankPep for peptide and disordered protein docking
☆51Updated 4 years ago
Alternatives and similar repositories for ADCP
Users that are interested in ADCP are comparing it to the libraries listed below
Sorting:
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆72Updated 5 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated 2 months ago
- Simple protein-ligand complex simulation with OpenMM☆87Updated 2 years ago
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆115Updated 10 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆51Updated last month
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 3 months ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- Calculation of interatomic interactions in molecular structures☆80Updated 3 years ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 2 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆27Updated this week
- PyDock Tutorial☆33Updated 7 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆60Updated last month
- Fully automated high-throughput MD pipeline☆70Updated 2 weeks ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆38Updated 2 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆36Updated 3 months ago
- Molecular Dynamics for Experimentalists☆63Updated 3 weeks ago
- A Consensus Docking Plugin for PyMOL☆76Updated last year
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆146Updated last week
- MDplot: Visualise Molecular Dynamics☆30Updated 3 years ago
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆67Updated 3 months ago
- Modelling of Large Protein Complexes☆37Updated last month
- Material from papers from KULL centre☆69Updated last year
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆81Updated 5 months ago
- ☆69Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆74Updated 3 weeks ago
- ☆78Updated 3 years ago
- some scripts for analysis of MD and CADD. And some tutorials.☆59Updated last year
- Trusted force field files for gromacs☆58Updated 10 months ago
- ☆42Updated last year
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated 2 months ago